ethyl 6-methyl-5-nitro-2H-isoindole-1-carboxylate

Systemtic Name: ethyl 6-methyl-5-nitro-2H-isoindole-1-carboxylate Openeye Name: ethyl 6-methyl-5-nitro-2H-isoindole-1-carboxylate CAS Name: 6-methyl-5-nitro-2H-isoindole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-5-nitro-2H-isoindole-1-carboxylate Traditional Name: 6-methyl-5-nitro-2H-isoindole-1-carboxylic acid ethyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C(=CC2=CN1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C(=CC2=CN1)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N2O4/c1-3-18-12(15)11-9-4-7(2)10(14(16)17)5-8(9)6-13-11/h4-6,13H,3H2,1-2H3